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Structure paper

TitleCrystal Structure of Pentaerythritol Tetranitrate Reductase: "Flipped" Binding Geometries for Steroid Substrates in Different Redox States of the Enzyme
Journal, issue, pagesJ. Mol. Biol., Vol. 310, Page 433-, Year 2001
Publish dateMay 17, 2001 (structure data deposition date)
AuthorsBarna, T.M. / Khan, H. / Bruce, N.C. / Barsukov, I. / Scrutton, N.S. / Moody, P.C.E.
External linksJ. Mol. Biol. / PubMed:11428899
MethodsX-ray diffraction
Resolution1.4 - 1.9 Å
Structure data

PDB-1h50:
Structure of Pentaerythritol Tetranitrate Reductase and complexes
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-1h51:
Oxidised Pentaerythritol Tetranitrate Reductase (SCN complex)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-1h60:
Structure of Pentaerythritol Tetranitrate Reductase in complex with progesterone
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-1h61:
Structure of Pentaerythritol Tetranitrate Reductase in complex with prednisone
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-1h62:
Structure of Pentaerythritol tetranitrate reductase in complex with 1,4-androstadien-3,17-dione
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-1h63:
Structure of the reduced Pentaerythritol Tetranitrate Reductase
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

Chemicals

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-SCN:
THIOCYANATE ION

ChemComp-STR:
PROGESTERONE / hormone*YM

ChemComp-PDN:
17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE / medication*YM

ChemComp-ANB:
ANDROSTA-1,4-DIENE-3,17-DIONE / hormone*YM

Source
  • enterobacter cloacae (bacteria)
KeywordsOXIDOREDUCTASE / FLAVOENZYME / EXPLOSIVE DEGRADATION / STEROID BINDING / REDUCED FLAVOENZYME

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